Comsia

基本解释

Two CoMFA models and two CoMSIA models were built and yielded statistically significant and high predictabilities.
数据显示模型都表现出高稳定性，并且也具有很好的预测能力。
The resulting CoMFA and CoMSIA models by computer-aided drug design had a cross validated coeffiecient q~2 of 0.703 and 0.717 respectively, which showed strong predictive ability .
利用计算机辅助药物设计技术建立了具有较强预测能力的CoMFA和CoMSIA模型;其交叉相关系数q~2值分别为0.;703和0
The docked conformations with the highest score were then extracted and used to build the 3D-QSAR models, with cross-validated r2cv values 0.716 and 0.762 for CoMFA and CoMSIA, respectively.
得到的CoMFA和CoMSIA模型交叉验证相关系数分别为0.;716和0
Keywords CoMFA;CoMSIA;HPPD;tautomerism;active conformation;
互变异构;活性构象;
comparative molecular similarity index analysis (CoMSIA)
比较分子相似性指数分析